1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine

C23H22N6O — CID 11711025

IUPAC1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(CN(C)C)n5)cc34)ccc2c1
InChIInChI=1S/C23H22N6O/c1-29(2)13-21-24-23(28-26-21)17-7-9-20-19(12-17)22(27-25-20)16-5-4-15-11-18(30-3)8-6-14(15)10-16/h4-12H,13H2,1-3H3,(H,25,27)(H,24,26,28)
InChIKeyNNCWHNAPEGGXIG-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.24
Rot. Bonds5

About 1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine

1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 11711025) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine
PubChem CID11711025
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(CN(C)C)n5)cc34)ccc2c1
InChIInChI=1S/C23H22N6O/c1-29(2)13-21-24-23(28-26-21)17-7-9-20-19(12-17)22(27-25-20)16-5-4-15-11-18(30-3)8-6-14(15)10-16/h4-12H,13H2,1-3H3,(H,25,27)(H,24,26,28)
InChIKeyNNCWHNAPEGGXIG-UHFFFAOYSA-N
XLogP4.24
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine (CID 11711025) is 1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine is COc1ccc2cc(-c3n[nH]c4ccc(-c5n[nH]c(CN(C)C)n5)cc34)ccc2c1.
What is the InChIKey of 1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is NNCWHNAPEGGXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-29(2)13-21-24-23(28-26-21)17-7-9-20-19(12-17)22(27-25-20)16-5-4-15-11-18(30-3)8-6-14(15)10-16/h4-12H,13H2,1-3H3,(H,25,27)(H,24,26,28).
What are the key properties of 1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine?
1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 398.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11711025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).